(1,4-Dinitro-3-phenylbut-2-en-2-yl)benzene
TL;DR: (1,4-Dinitro-3-phenylbut-2-en-2-yl)benzene (CAS 94608-59-0) is a chemical compound with molecular formula C16H14N2O4 and molecular weight 298.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1,4-dinitro-3-phenylbut-2-en-2-yl)benzene
Also Known As: DNDPB, 1,4-Dinitro-2,3-diphenyl-2-butene, (1,4-dinitro-3-phenylbut-2-en-2-yl)benzene
| Molecular Formula | C16H14N2O4 |
|---|---|
| Molecular Weight | 298.10 g/mol |
| LogP | 4.2 |
| Topological Polar Surface Area | 91.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 298.09537 |
| Heavy Atoms | 22 |
| Complexity | 384.0 |
Chemical Identifiers
| CAS Number | 94608-59-0 |
|---|---|
| SMILES | C1=CC=C(C=C1)C(=C(C[N+](=O)[O-])C2=CC=CC=C2)C[N+](=O)[O-] |
| InChIKey | IGEOBDZXZZSNIP-UHFFFAOYSA-N |
Product Overview
(1,4-Dinitro-3-phenylbut-2-en-2-yl)benzene (CAS 94608-59-0), with molecular formula C16H14N2O4 and molecular weight 298.10 g/mol. IUPAC: (1,4-dinitro-3-phenylbut-2-en-2-yl)benzene.
Chemical Property Profile of (1,4-Dinitro-3-phenylbut-2-en-2-yl)benzene
Property Insights of (1,4-Dinitro-3-phenylbut-2-en-2-yl)benzene
The XLogP value of 4.2 indicates that (1,4-Dinitro-3-phenylbut-2-en-2-yl)benzene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 91.6 Ų falls within the moderate polarity range, balancing permeability and solubility for (1,4-Dinitro-3-phenylbut-2-en-2-yl)benzene. Following Lipinski's Rule of Five, (1,4-Dinitro-3-phenylbut-2-en-2-yl)benzene has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of (1,4-Dinitro-3-phenylbut-2-en-2-yl)benzene?
The CAS number of (1,4-Dinitro-3-phenylbut-2-en-2-yl)benzene is 94608-59-0.
What is the molecular formula of (1,4-Dinitro-3-phenylbut-2-en-2-yl)benzene?
The molecular formula of (1,4-Dinitro-3-phenylbut-2-en-2-yl)benzene is C16H14N2O4.
What is the molecular weight of (1,4-Dinitro-3-phenylbut-2-en-2-yl)benzene?
The molecular weight of (1,4-Dinitro-3-phenylbut-2-en-2-yl)benzene is 298.10 g/mol.
Where can I buy (1,4-Dinitro-3-phenylbut-2-en-2-yl)benzene?
You can request a quote for (1,4-Dinitro-3-phenylbut-2-en-2-yl)benzene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (1,4-Dinitro-3-phenylbut-2-en-2-yl)benzene?
Yes, KEHONG BIO provides custom synthesis services for (1,4-Dinitro-3-phenylbut-2-en-2-yl)benzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.